CID 130115454

1936673-55-0

Structural Information

Molecular Formula
C5H2BrClN4
SMILES
C1=C(N=C2C(=N1)N=C(N2)Cl)Br
InChI
InChI=1S/C5H2BrClN4/c6-2-1-8-3-4(9-2)11-5(7)10-3/h1H,(H,8,9,10,11)
InChIKey
XFXYCKYBPJVKHW-UHFFFAOYSA-N
Compound name
5-bromo-2-chloro-3H-imidazo[4,5-b]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.91515 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.92243 131.6
[M+Na]+ 254.90437 148.5
[M-H]- 230.90787 133.6
[M+NH4]+ 249.94897 151.6
[M+K]+ 270.87831 135.4
[M+H-H2O]+ 214.91241 131.2
[M+HCOO]- 276.91335 146.3
[M+CH3COO]- 290.92900 147.2
[M+Na-2H]- 252.88982 142.2
[M]+ 231.91460 152.4
[M]- 231.91570 152.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.